(Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine

C9H17NO — CID 134224611

IUPAC(Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
SMILESC=C(/C=C\C)[C@H](CNC)OC
InChIInChI=1S/C9H17NO/c1-5-6-8(2)9(11-4)7-10-3/h5-6,9-10H,2,7H2,1,3-4H3/b6-5-/t9-/m0/s1
InChIKeyZGUVVZDTSNAKCH-UDIARPCQSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds5

About (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine

(Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine (PubChem CID 134224611) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine.

Molecular Properties

Compound Name(Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
PubChem CID134224611
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
SMILESC=C(/C=C\C)[C@H](CNC)OC
InChIInChI=1S/C9H17NO/c1-5-6-8(2)9(11-4)7-10-3/h5-6,9-10H,2,7H2,1,3-4H3/b6-5-/t9-/m0/s1
InChIKeyZGUVVZDTSNAKCH-UDIARPCQSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine?
The IUPAC name of (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine (CID 134224611) is (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine.
What is the SMILES notation for (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine?
The canonical SMILES for (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine is C=C(/C=C\C)[C@H](CNC)OC.
What is the InChIKey of (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine?
The InChIKey is ZGUVVZDTSNAKCH-UDIARPCQSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-8(2)9(11-4)7-10-3/h5-6,9-10H,2,7H2,1,3-4H3/b6-5-/t9-/m0/s1.
What are the key properties of (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine?
(Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine is sourced from PubChem (CID 134224611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).